MolNFT v1 · #58563 · protein
Crystal structure of the S228A mutant of the aminopeptidase from vibrio proteolyticus in complex with leucine phosphonic acid
3B7I · Bacterial leucyl aminopeptidase: “Crystal structure of the S228A mutant of the aminopeptidase from vibrio proteolyticus in complex with leucine…”. X-ray diffraction, 6 ligands (PLU, LEU, ZN), 2 pockets (best druggability 0.50).…
- PDB
- 3B7I
- Type
- protein
- Length
- 291 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bacterial leucyl aminopeptidase
- EC
- 3.4.11.10
- UniProt
- Q01693
- Ligands
- PLU, LEU, ZN, NA, K, SCN
- Pockets
- 2 · best druggability 0.50
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bacterial leucyl aminopeptidase (EC 3.4.11.10) | protein | 291 | 42% helix, 19% strand | Q01693 |
Ligands and binding sites
- PLU · Leucine phosphonic acid · ligand · chains A
- LEU · Leucine · ligand · chains A
- ZN · Zinc ion · metal · 2 copies · chains A
- NA · Sodium ion · metal · 2 copies · chains A
- K · Potassium ion · metal · chains A
- SCN · Thiocyanate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 79 | 0.50 | 0.83 | 20 | K, PLU, LEU |
| 2 | 55 | 0.30 | 0.76 | 12 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 3B7I · Crystal structure of the S228A mutant of the aminopeptidase from Vibrio proteolyticus in… · the same entry in another collection · chain A against A, TM-score 1.00
- Q01693 · AlphaFold monomer V2.0 prediction for bacterial leucyl aminopeptidase (Q01693) · a predicted model of the same protein · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q01693
- Elsewhere: RCSB PDB 3B7I · PDBe 3B7I · UniProt Q01693
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